# generated using pymatgen
data_TmMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86992400
_cell_length_b   6.86992425
_cell_length_c   19.13125000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999877
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmMgSe3
_chemical_formula_sum   'Tm6 Mg6 Se18'
_cell_volume   781.94798583
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tm  Tm0  1  0.00000000  0.00000000  0.34624000  1.0
  Tm  Tm1  1  0.00000000  0.00000000  0.65376000  1.0
  Tm  Tm2  1  0.66666700  0.33333300  0.67957300  1.0
  Tm  Tm3  1  0.66666700  0.33333300  0.98709300  1.0
  Tm  Tm4  1  0.33333300  0.66666700  0.01290700  1.0
  Tm  Tm5  1  0.33333300  0.66666700  0.32042700  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.15930700  1.0
  Mg  Mg7  1  0.00000000  0.00000000  0.84069300  1.0
  Mg  Mg8  1  0.66666700  0.33333300  0.49264000  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.17402600  1.0
  Mg  Mg10  1  0.33333300  0.66666700  0.82597400  1.0
  Mg  Mg11  1  0.33333300  0.66666700  0.50736000  1.0
  Se  Se12  1  0.98855300  0.35149000  0.58372900  1.0
  Se  Se13  1  0.01144700  0.64851000  0.41627100  1.0
  Se  Se14  1  0.64851000  0.63706300  0.58372900  1.0
  Se  Se15  1  0.35149000  0.36293700  0.41627100  1.0
  Se  Se16  1  0.36293700  0.01144700  0.58372900  1.0
  Se  Se17  1  0.63706300  0.98855300  0.41627100  1.0
  Se  Se18  1  0.65522000  0.68482300  0.91706200  1.0
  Se  Se19  1  0.67811400  0.98184300  0.74960400  1.0
  Se  Se20  1  0.31517700  0.97039600  0.91706200  1.0
  Se  Se21  1  0.01815700  0.69627000  0.74960400  1.0
  Se  Se22  1  0.02960400  0.34478000  0.91706200  1.0
  Se  Se23  1  0.30373000  0.32188600  0.74960400  1.0
  Se  Se24  1  0.32188600  0.01815700  0.25039600  1.0
  Se  Se25  1  0.34478000  0.31517700  0.08293800  1.0
  Se  Se26  1  0.98184300  0.30373000  0.25039600  1.0
  Se  Se27  1  0.68482300  0.02960400  0.08293800  1.0
  Se  Se28  1  0.69627000  0.67811400  0.25039600  1.0
  Se  Se29  1  0.97039600  0.65522000  0.08293800  1.0